3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

C51H85N5 — CID 163919777

IUPAC3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
SMILESC1=C(C2CCC3C4CC5C6CCCCC6N(C6CCCCC6)C5CC4N(C4CCCC(C5NC(C6CCCCC6)NC(C6CCCCC6)N5)C4)C3C2)CCCC1
InChIInChI=1S/C51H85N5/c1-5-16-34(17-6-1)37-28-29-42-44-32-43-41-26-13-14-27-45(41)55(39-23-11-4-12-24-39)47(43)33-48(44)56(46(42)31-37)40-25-15-22-38(30-40)51-53-49(35-18-7-2-8-19-35)52-50(54-51)36-20-9-3-10-21-36/h16,35-54H,1-15,17-33H2
InChIKeyQZKRWJCKHXRTGK-UHFFFAOYSA-N
MW768.28 g/mol
LogP11.04
Rot. Bonds6

About 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole

3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (PubChem CID 163919777) has the molecular formula C51H85N5 and a molecular weight of 768.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
PubChem CID163919777
Molecular FormulaC51H85N5
Molecular Weight768.28 g/mol
Exact Mass767.68
IUPAC Name3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole
SMILESC1=C(C2CCC3C4CC5C6CCCCC6N(C6CCCCC6)C5CC4N(C4CCCC(C5NC(C6CCCCC6)NC(C6CCCCC6)N5)C4)C3C2)CCCC1
InChIInChI=1S/C51H85N5/c1-5-16-34(17-6-1)37-28-29-42-44-32-43-41-26-13-14-27-45(41)55(39-23-11-4-12-24-39)47(43)33-48(44)56(46(42)31-37)40-25-15-22-38(30-40)51-53-49(35-18-7-2-8-19-35)52-50(54-51)36-20-9-3-10-21-36/h16,35-54H,1-15,17-33H2
InChIKeyQZKRWJCKHXRTGK-UHFFFAOYSA-N
XLogP11.04
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.28
LogP ≤ 511.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The IUPAC name of 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole (CID 163919777) is 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole.
What is the SMILES notation for 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The canonical SMILES for 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is C1=C(C2CCC3C4CC5C6CCCCC6N(C6CCCCC6)C5CC4N(C4CCCC(C5NC(C6CCCCC6)NC(C6CCCCC6)N5)C4)C3C2)CCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
The InChIKey is QZKRWJCKHXRTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H85N5/c1-5-16-34(17-6-1)37-28-29-42-44-32-43-41-26-13-14-27-45(41)55(39-23-11-4-12-24-39)47(43)33-48(44)56(46(42)31-37)40-25-15-22-38(30-40)51-53-49(35-18-7-2-8-19-35)52-50(54-51)36-20-9-3-10-21-36/h16,35-54H,1-15,17-33H2.
What are the key properties of 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole?
3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole has a molecular weight of 768.28 g/mol, XLogP of 11.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-7-cyclohexyl-5-[3-(4,6-dicyclohexyl-1,3,5-triazinan-2-yl)cyclohexyl]-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,11b,12,12a,12b-octadecahydroindolo[2,3-b]carbazole is sourced from PubChem (CID 163919777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).